(1S)-1-[2-(azocan-1-yl)-4-methyl-pyrimidin-5-yl]-N-(phenylmethyl)ethanamine

Systemtic Name: (1S)-1-[2-(azocan-1-yl)-4-methyl-pyrimidin-5-yl]-N-(phenylmethyl)ethanamine Openeye Name: (1S)-1-[2-(azocan-1-yl)-4-methyl-pyrimidin-5-yl]-N-benzyl-ethanamine CAS Name: (1S)-1-[2-(1-azocanyl)-4-methyl-5-pyrimidinyl]-N-(phenylmethyl)ethanamine IUPAC Name: (1S)-1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]-N-benzylethanamine Traditional Name: [(1S)-1-[2-(azocan-1-yl)-4-methyl-pyrimidin-5-yl]ethyl]-benzyl-amine Formula: C21H30N4 MolecularWeight: 338.4897

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(C)NCC2=CC=CC=C2)N3CCCCCCC3

Isomeric SMILES

CC1=NC(=NC=C1[C@H](C)NCC2=CC=CC=C2)N3CCCCCCC3

InChI

InChI=1S/C21H30N4/c1-17(22-15-19-11-7-6-8-12-19)20-16-23-21(24-18(20)2)25-13-9-4-3-5-10-14-25/h6-8,11-12,16-17,22H,3-5,9-10,13-15H2,1-2H3/t17-/m0/s1